[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

C22H27N3O7S — CID 3000173

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H27N3O7S/c1-3-25(4-2)33(29,30)18-9-7-17(8-10-18)22(28)32-16-20(26)23-11-13-24(14-12-23)21(27)19-6-5-15-31-19/h5-10,15H,3-4,11-14,16H2,1-2H3
InChIKeyBPAGEQCGZBJBHS-UHFFFAOYSA-N
MW477.54 g/mol
LogP1.45
Rot. Bonds8

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (PubChem CID 3000173) has the molecular formula C22H27N3O7S and a molecular weight of 477.54 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
PubChem CID3000173
Molecular FormulaC22H27N3O7S
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H27N3O7S/c1-3-25(4-2)33(29,30)18-9-7-17(8-10-18)22(28)32-16-20(26)23-11-13-24(14-12-23)21(27)19-6-5-15-31-19/h5-10,15H,3-4,11-14,16H2,1-2H3
InChIKeyBPAGEQCGZBJBHS-UHFFFAOYSA-N
XLogP1.45
TPSA117.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
Furan-2-carboxamide deriv., 16
CID 44236902
(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine
CID 146171282
1-[(4-Chlorobenzyl)sulfonyl]-4-(2-furoyl)piperazine
CID 2230064
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116217
[4-(4-Fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 2238809
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2355620
(2-Amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401241
5-[4-(2-Furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid
CID 2812276

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (CID 3000173) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The InChIKey is BPAGEQCGZBJBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7S/c1-3-25(4-2)33(29,30)18-9-7-17(8-10-18)22(28)32-16-20(26)23-11-13-24(14-12-23)21(27)19-6-5-15-31-19/h5-10,15H,3-4,11-14,16H2,1-2H3.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate has a molecular weight of 477.54 g/mol, XLogP of 1.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 3000173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).